SCHEMBL6577967

SCHEMBL6577967

COCOc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCN(C(=O)OC)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.57
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM3 P20309 2/20 0.57
ALDH1A1 P00352 1/20 0.48
OPRM1 P35372 1/20 0.47
CALCRL Q16602 2/20 0.46
HSD11B1 P28845 3/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6580358 0.93 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577611 0.84 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577844 0.83 HSD11B1 (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577930 0.83 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577909 0.81 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6577928 0.81 CHRM1 (0.80) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13153970 0.78 HSD11B1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6580539 0.77 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8863920 0.76 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22587911 0.75 HSD11B1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed